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GEOMETRY OPTIMIZATION OF COUPLING ALLIN -METFORMIN USING DFT/B3LYP MOLECULAR MODELLING TECHNIQUE: GEOMETRY OPTIMIZATION OF COUPLING ALLIN -METFORMIN USING DFT/B3LYP MOLECULAR MODELLING TECHNIQUE
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This researchpaper includes the incorporation of Alliin at various energy levels and angles 

With Metformin using Gaussian 09 and Gaussian view 06. Two computers were used in this work. Samples were generated to draw, integrate, simulate and measure the value of the potential energy surface by means of which the lowest energy value was (-1227.408au). The best correlation compound was achieved between Alliin and Metformin through the low energy values where the best place for metformin to bind was through (CH2-).  This is considered to be very useful for the industrial application of drugs.

This level of calculation was used for physical and quantum properties such as total energy, HOMO and LUMO orbitals energies, and power gap. Besides, the calculation of FT-IR spectra in the range 400-4000 cm-1 was calculated in addition to the essential vibrational frequencies and the intensity of the vibrational bands. Moreover, the chemical displacement of the 1H and 13C NMR of the compound in the ground state was studied.

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Publication Date
Wed Dec 25 2019
Journal Name
Journal Of Engineering
Removal of Cadmium from Industrial Wastewater using Electrocoagulation Process
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Cadmium is one of the heavy metal found in the wastewater of many industries. The electrocoagulation offers many advantages for the removal of cadmium over other methods. So the removal of cadmium from wastewater by using electrocoagulation was studied to investigate the effect of operating parameters on the removal efficiency. The studied parameters were the initial pH, initial concentration, and applied voltage. The study experiments were conducted in a batch reactor with  with two pairs of aluminum electrodes with dimension  and 2mm in thick with 1.5 cm space between them. The optimum removal was obtained at pH =7, initial concentration = 50 mg/L, and applied voltage = 20 V and it was 90%.

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Publication Date
Sun Jul 31 2016
Journal Name
International Journal Of Advanced Research
Attenuation Coefficient of Reactive Powder Concrete Using Different Energies.
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Publication Date
Wed Jul 30 2025
Journal Name
Industrial Laboratory. Diagnostics Of Materials
Simultaneous determination of metronidazole and thiamine using UV-spectroscopy
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The development of analytical techniques is required for the accurate and comprehensive detection and measurement of antibiotic contamination in the environment. Metronidazole is a common antibacterial, antiprotozoal, and antibiotic drug. Thiamine is a vital biological and medicinal ingredient that is involved in the metabolism of proteins, fats, and carbohydrates that produce energy. The study aims to identify the drugs in a mixture without separation to provide more information to confirm if a drug is present in a combination. Metronidazole and thiamine are two examples of pharmaceutical and environmental samples that can be identified using spectrophotometric techniques because of their low cost and simplicity of use. The operati

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Publication Date
Sun Jun 01 2014
Journal Name
Baghdad Science Journal
Improvement of Gasoline Octane Number by Using Organic Compounds
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The toxic lead additives to gasoline are no longer used in many countries around the world. Many other countries are now phasing out the lead in gasoline. Although the lead fuel is still in use in Iraq, several plans are considered to phase out the lead. The use of organic compounds to replace the lead additives in gasoline is considered now as an option in Iraqi refineries. The main objective of this project was preparation of premium gasoline, by blending of gasoline with Alternative additives (alcohol, aromatic) to enhancing octane number of Al-Doura gasoline pool. Improved gasoline was tested by ASTM standard method which includes octane number measuring by CFR engine analyzer. Gasoline pool RON (80) was used and selective components

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Publication Date
Fri Feb 08 2019
Journal Name
Iraqi Journal Of Laser
Treatment of Spider Veins Using 810 nm Diode Laser
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Spider veins are a common aesthetic problem mainly in females , the conventional method of treatment is by microsclerotherapy (injections) but laser therapy has become increasingly efficacious and a convenient method for treatment. The present study was performed to investigate the effectiveness and safety of pulsed diode laser (810nm) by doing thermal photocoagulation. Ten patients with lower limbs spider veins were included in this prospective study. They were treated with a repetitive pulsed diode laser in non contact technique using the following laser parameters (wave length 810nm,power 1 W ,pulse duration 0.1 s., pulse interval 0.5 s, spot diameter 4mm ,power density 7.9 W/cm2). Laser therapy was performed on day zero and day fourt

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Publication Date
Mon Feb 04 2019
Journal Name
Iraqi Journal Of Physics
Frequency analyses of human voice using fast Fourier transform
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Quantitative analysis of human voice has been subject of interest and the subject gained momentum when human voice was identified as a modality for human authentication and identification. The main organ responsible for production of sound is larynx and the structure of larynx along with its physical properties and modes of vibration determine the nature and quality of sound produced. There has been lot of work from the point of view of fundamental frequency of sound and its characteristics. With the introduction of additional applications of human voice interest grew in other characteristics of sound and possibility of extracting useful features from human voice. We conducted a study using Fast Fourier Transform (FFT) technique to analy

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Publication Date
Mon Sep 30 2019
Journal Name
Iraqi Journal Of Chemical And Petroleum Engineering
Adsorption of Methyl Orange from Wastewater by using Biochar
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The biochar prepared from sawdust raw material was applied in this study for the treatment of wastewater polluted with methyl orange dye. The effect of pH (2-11), initial concertation (50-250 mg/L) and time were studied. The isotherm of Langmuir, Frendluch and temkin models studied. The Langmuir model was the best to explain the adsorption process, maximum uptake was 136.67 mg/g at 25Co of methyl orange dye. Equilibrium reached after four hours of contact for most adsorbents.The values of thermodynamic parameters ∆G were negative at various temperatures, so the process spontaneous, while ∆H values were 16683 j/mol and ∆S values was 60.82 j/mol.k.

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Publication Date
Wed Feb 14 2024
Journal Name
2nd International Conference For Engineering Sciences And Information Technology (esit 2022): Esit2022 Conference Proceedings
Manufacture of wooden furniture paint using pistachio shell waste
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Publication Date
Thu Dec 04 2008
Journal Name
Journal Of Engineering
IMPROVEMENT OF SOIL USING GEOGRIDS TO RESIST ECCENTRIC LOADS.
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This paper presents the results of experimental investigations to predict the bearing capacity of square footing on geogrid-reinforced loose sand by performing model tests. The effects of several parameters were studied in order to study the general behavior of improving the soil by using the geogrid. These parameters include the eccentricity value, depth of first layer of reinforcement, and vertical spacing of reinforcement layers. The results of the experimental work indicated that there was an optimum reinforcement embedment depth at which the bearing capacity was the highest when single-layer reinforcement was used. The increase of (z/B) (vertical spacing of reinforcement layer/width of footing) above 1.5 has no effect on the re

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Publication Date
Mon Sep 19 2016
Journal Name
Spie Proceedings
Simulation of push-pull inverter using wide bandgap devices
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